AG00FCB3

71254-71-2 | Ethyl4-methylamino-3-nitrobenzoate

AG00FCB3

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CAS Number	71254-71-2
Catalog Number	AG00FCB3(AGN-PC-0NJ5XJ)
Chemical Name	Ethyl4-methylamino-3-nitrobenzoate
IUPAC Name	ethyl 4-(methylamino)-3-nitrobenzoate
InChI	InChI=1S/C10H12N2O4/c1-3-16-10(13)7-4-5-8(11-2)9(6-7)12(14)15/h4-6,11H,3H2,1-2H3
InChI Key	VBBWOFYWXQZACX-UHFFFAOYSA-N
MDL Number	MFCD09746194
Molecular Formula	C10H12N2O4
Molecular Weight	224.2133
SMILES	O=C(OCC)C1=CC=C(NC)C([N+]([O-])=O)=C1
Synonyms	Ethyl 4-(methylamino)-3-nitrobenzoate, 71254-71-2, Ethyl 4-methylamino-3-nitrobenzoate, Benzoic acid, 4-(methylamino)-3-nitro-, ethyl ester, ETHYL4-METHYLAMINO-3-NITROBENZOATE, SCHEMBL1965205, CTK5D3770, DTXSID70500305, VBBWOFYWXQZACX-UHFFFAOYSA-N, KS-00000G7A, ANW-46679, CE-283, MFCD09746194, ZINC54965033, AKOS005264431, AC-9046, AK-84466, DS-17438, AJ-112510, TC-135424, FT-0654181, ST24030593, W8024, 254M712, 4-(Methylamino)-3-nitro-benzoic acid ethyl ester, Benzoic acid,4-(methylamino)-3-nitro-, ethyl ester, I01-4470, C10H12N2O4,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.08g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.216g/mol
Monoisotopic Mass	224.08g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	84.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number